N-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide

C15H12F3NO2 — CID 33099843

IUPACN-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCONC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO2/c1-21-19-14(20)13-5-3-2-4-12(13)10-6-8-11(9-7-10)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyUALLLLOHUNCONN-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.66
Rot. Bonds3

About N-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide

N-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 33099843) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is N-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID33099843
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC NameN-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCONC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO2/c1-21-19-14(20)13-5-3-2-4-12(13)10-6-8-11(9-7-10)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyUALLLLOHUNCONN-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide (CID 33099843) is N-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide is CONC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UALLLLOHUNCONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-21-19-14(20)13-5-3-2-4-12(13)10-6-8-11(9-7-10)15(16,17)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide?
N-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 295.26 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 33099843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).